9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate

C23H25NO4 — CID 70953072

IUPAC9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)C[C@H]1C(O)CC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H25NO4/c1-14(2)11-20-21(25)12-22(26)24(20)23(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-21,25H,11-13H2,1-2H3/t20-,21?/m0/s1
InChIKeyXFFLTICRWCPRPN-BGERDNNASA-N
MW379.46 g/mol
LogP3.94
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate (PubChem CID 70953072) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
PubChem CID70953072
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)C[C@H]1C(O)CC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H25NO4/c1-14(2)11-20-21(25)12-22(26)24(20)23(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-21,25H,11-13H2,1-2H3/t20-,21?/m0/s1
InChIKeyXFFLTICRWCPRPN-BGERDNNASA-N
XLogP3.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate
CID 14778072
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 165476474
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
1-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 100928046
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate
CID 175476365
9H-fluoren-9-ylmethyl 7-(2-methylpropanoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938881
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate (CID 70953072) is 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate is CC(C)C[C@H]1C(O)CC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate?
The InChIKey is XFFLTICRWCPRPN-BGERDNNASA-N. The full InChI is InChI=1S/C23H25NO4/c1-14(2)11-20-21(25)12-22(26)24(20)23(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-21,25H,11-13H2,1-2H3/t20-,21?/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 70953072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).